(2-methylphenyl)-diphenyl-sulfanylidene-lambda5-phosphane

C19H17PS — CID 13238195

IUPAC(2-methylphenyl)-diphenyl-sulfanylidene-lambda5-phosphane
SMILESCc1ccccc1P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17PS/c1-16-10-8-9-15-19(16)20(21,17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-15H,1H3
InChIKeyBIJAPGNFJICUQH-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.75
Rot. Bonds3

About (2-methylphenyl)-diphenyl-sulfanylidene-lambda5-phosphane

(2-methylphenyl)-diphenyl-sulfanylidene-lambda5-phosphane (PubChem CID 13238195) has the molecular formula C19H17PS and a molecular weight of 308.39 g/mol. Its IUPAC name is (2-methylphenyl)-diphenyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Name(2-methylphenyl)-diphenyl-sulfanylidene-lambda5-phosphane
PubChem CID13238195
Molecular FormulaC19H17PS
Molecular Weight308.39 g/mol
Exact Mass308.08
IUPAC Name(2-methylphenyl)-diphenyl-sulfanylidene-lambda5-phosphane
SMILESCc1ccccc1P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17PS/c1-16-10-8-9-15-19(16)20(21,17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-15H,1H3
InChIKeyBIJAPGNFJICUQH-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-[phenoxy(phenyl)phosphoryl]benzene
CID 628026
benzene;1,2-xylene
CID 161464493
methyl-bis(2-methylphenyl)-selanylidene-λ5-phosphane
CID 86253016
1-(2-diphenylphosphorylphenyl)-2-methylbenzene
CID 15531741
dimethyl-phenyl-sulfanylidene-λ5-phosphane;ethane
CID 91466135
diphenyl-[2-(2-phenylsulfanylphenyl)sulfanylphenyl]-sulfanylidene-λ5-phosphane
CID 166446977
4-[(4-methylphenyl)-phenylphosphinothioyl]benzenethiol
CID 142944863
1,2-xylene
CID 173422016
(2-methylphenyl)phosphonic acid;dihydrochloride
CID 70471914
(2-methylphenyl)-sulfanylidenephosphanium
CID 151388487
methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane
CID 586594
N-benzyl-2-methyl-N-[(2-methylphenyl)-phenylphosphoryl]propan-2-amine
CID 11810941

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-diphenyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of (2-methylphenyl)-diphenyl-sulfanylidene-lambda5-phosphane (CID 13238195) is (2-methylphenyl)-diphenyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for (2-methylphenyl)-diphenyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for (2-methylphenyl)-diphenyl-sulfanylidene-lambda5-phosphane is Cc1ccccc1P(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-methylphenyl)-diphenyl-sulfanylidene-lambda5-phosphane?
The InChIKey is BIJAPGNFJICUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17PS/c1-16-10-8-9-15-19(16)20(21,17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-15H,1H3.
What are the key properties of (2-methylphenyl)-diphenyl-sulfanylidene-lambda5-phosphane?
(2-methylphenyl)-diphenyl-sulfanylidene-lambda5-phosphane has a molecular weight of 308.39 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-diphenyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 13238195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).